2-fluoranyl-4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-benzenecarbonitrile Openeye Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-2-fluoro-benzonitrile CAS Name: 2-fluoro-4-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-2-fluorobenzonitrile Traditional Name: 4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-2-fluoro-benzonitrile Formula: C22H19FN6O3 MolecularWeight: 434.423063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)C#N)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)C#N)F)[N+](=O)[O-]

InChI

InChI=1S/C22H19FN6O3/c23-19-12-18(7-6-17(19)13-24)32-22-20(29(30)31)21(25-15-26-22)28-10-8-27(9-11-28)14-16-4-2-1-3-5-16/h1-7,12,15H,8-11,14H2